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Analogs

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Popular Name: 4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 4-[2-(3-pyridyl)ethyl]-1,2,4-tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.01 7.05 -15.58 1 4 0 47 206.274 3 ↓
Mid Mid (pH 6-8) 0.74 7.15 -44.56 0 4 -1 44 205.266 3 ↓
Lo Low (pH 4.5-6) 0.01 7.52 -49.97 2 4 1 48 207.282 3 ↓

Analogs

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Popular Name: 5-methyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[2-(3-pyridyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 6.84 -14.08 1 4 0 47 220.301 3 ↓
Mid Mid (pH 6-8) 0.83 6.96 -46.49 0 4 -1 44 219.293 3 ↓
Lo Low (pH 4.5-6) 0.10 7.31 -49.41 2 4 1 48 221.309 3 ↓

Analogs

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Popular Name: 5-ethyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[2-(3-pyridyl)ethyl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 7.67 -13.48 1 4 0 47 234.328 4 ↓
Mid Mid (pH 6-8) 1.40 7.56 -46.26 0 4 -1 44 233.32 4 ↓
Lo Low (pH 4.5-6) 0.67 8.14 -49.37 2 4 1 48 235.336 4 ↓

Analogs

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Popular Name: 5-isopropyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[2-(3-pyridyl)ethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 7.87 -12.26 1 4 0 47 248.355 4 ↓
Mid Mid (pH 6-8) 1.89 7.98 -46.36 0 4 -1 44 247.347 4 ↓
Lo Low (pH 4.5-6) 1.16 8.33 -48.17 2 4 1 48 249.363 4 ↓

Parameters Provided:

ring.id = 573421
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 573421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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